(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol

C14H11BrF2O2 — CID 61082273

IUPAC(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H11BrF2O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyVUFCTPZELHAXNA-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.82
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol

(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 61082273) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID61082273
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H11BrF2O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyVUFCTPZELHAXNA-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol (CID 61082273) is (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(Br)cc2F)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is VUFCTPZELHAXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol?
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 329.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 61082273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).